SCHEMBL463466

SCHEMBL463466

COC(=O)CCC(NC(=O)C(N)CCCNC(=N)N)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 12/20 0.52
▸ NPY1R P25929 7/20 0.52
▸ NPY2R P49146 5/20 0.43
▸ NPY5R Q15761 5/20 0.43
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.37
▸ SLC1A1 P43005 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30434218 0.91 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29508688 0.90 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29726986 0.90 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL30380134 0.90 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL30379845 0.89 NPY4R (0.63) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL29508677 0.88 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RDPP7
Hydrochloric Acid SCHEMBL30379307 0.88 NPY4R (0.62) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL412198 0.86 KMT2A (0.52) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL10792564 0.85 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL10792547 0.85 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RDPP7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871252-B2 pH-responsive liposome NANOTHETA CO, LTD. (JP) 2014-10-28 — — US disclosed
US-20120064148-A1 PH-RESPONSIVE LIPOSOME BIONANOSHEETER CO., LTD. (JP) 2012-03-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120064148-A1 PH-RESPONSIVE LIPOSOME LIPA, SMPD3, SMPD1 NPY4R 3789/4885NPY1R 3883/4885NPY2R 3694/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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